N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide

C14H20N2O4S — CID 42910274

IUPACN,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCN(C)C(=O)c1cccc(S(=O)(=O)NCC2CCCO2)c1
InChIInChI=1S/C14H20N2O4S/c1-16(2)14(17)11-5-3-7-13(9-11)21(18,19)15-10-12-6-4-8-20-12/h3,5,7,9,12,15H,4,6,8,10H2,1-2H3
InChIKeyUXAKHCUWCRWMFL-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.85
Rot. Bonds5

About N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide

N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 42910274) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID42910274
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCN(C)C(=O)c1cccc(S(=O)(=O)NCC2CCCO2)c1
InChIInChI=1S/C14H20N2O4S/c1-16(2)14(17)11-5-3-7-13(9-11)21(18,19)15-10-12-6-4-8-20-12/h3,5,7,9,12,15H,4,6,8,10H2,1-2H3
InChIKeyUXAKHCUWCRWMFL-UHFFFAOYSA-N
XLogP0.85
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063903
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46522344
N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42962136
N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24539464
N-benzyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51160928
N-(oxolan-2-ylmethyl)-3-[3-(oxolan-2-ylmethylsulfamoyl)phenyl]sulfonylbenzenesulfonamide
CID 20967101
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41022421
3-(azepane-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43002594
3-(oxolan-2-ylmethylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 43020050
N-[(3-methylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 74632236
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43045341
(2-amino-2-oxoethyl) 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 7976955

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 42910274) is N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide is CN(C)C(=O)c1cccc(S(=O)(=O)NCC2CCCO2)c1.
What is the InChIKey of N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is UXAKHCUWCRWMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-16(2)14(17)11-5-3-7-13(9-11)21(18,19)15-10-12-6-4-8-20-12/h3,5,7,9,12,15H,4,6,8,10H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 312.39 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 42910274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).